[2-hydroxy-5-(trifluoromethyl)phenyl]-pyridin-4-ylmethanone

C13H8F3NO2 — CID 134627441

IUPAC[2-hydroxy-5-(trifluoromethyl)phenyl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)c1cc(C(F)(F)F)ccc1O
InChIInChI=1S/C13H8F3NO2/c14-13(15,16)9-1-2-11(18)10(7-9)12(19)8-3-5-17-6-4-8/h1-7,18H
InChIKeyFLAZVOOGJSFOBV-UHFFFAOYSA-N
MW267.21 g/mol
LogP3.04
Rot. Bonds2

About [2-hydroxy-5-(trifluoromethyl)phenyl]-pyridin-4-ylmethanone

[2-hydroxy-5-(trifluoromethyl)phenyl]-pyridin-4-ylmethanone (PubChem CID 134627441) has the molecular formula C13H8F3NO2 and a molecular weight of 267.21 g/mol. Its IUPAC name is [2-hydroxy-5-(trifluoromethyl)phenyl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[2-hydroxy-5-(trifluoromethyl)phenyl]-pyridin-4-ylmethanone
PubChem CID134627441
Molecular FormulaC13H8F3NO2
Molecular Weight267.21 g/mol
Exact Mass267.05
IUPAC Name[2-hydroxy-5-(trifluoromethyl)phenyl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)c1cc(C(F)(F)F)ccc1O
InChIInChI=1S/C13H8F3NO2/c14-13(15,16)9-1-2-11(18)10(7-9)12(19)8-3-5-17-6-4-8/h1-7,18H
InChIKeyFLAZVOOGJSFOBV-UHFFFAOYSA-N
XLogP3.04
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.21
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-aminophenyl)-[2-hydroxy-5-(trifluoromethyl)phenyl]methanone
CID 95420268
(5-tert-butyl-2-hydroxyphenyl)-phenylmethanone
CID 517837
[3,5-bis[4-(trifluoromethyl)benzoyl]phenyl]-[4-(trifluoromethyl)phenyl]methanone
CID 139681041
2-(pyridine-3-carbonyl)-4-(trifluoromethyl)benzoic acid
CID 10085854
(2-chloro-4-pyridinyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102752678
N-[2-sulfanyl-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 162551404
N-[2-methyl-4-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 58919756
N-[2-bromo-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 23149635
pyridazin-4-yl-[4-(trifluoromethyl)phenyl]methanone
CID 105095554
N-[2-hydroxy-3-methyl-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 70806875
[4-(trifluoromethyl)phenyl]-(3,4,5-trifluorophenyl)methanone
CID 62789591
(2,4-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanone
CID 43337889

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-5-(trifluoromethyl)phenyl]-pyridin-4-ylmethanone?
The IUPAC name of [2-hydroxy-5-(trifluoromethyl)phenyl]-pyridin-4-ylmethanone (CID 134627441) is [2-hydroxy-5-(trifluoromethyl)phenyl]-pyridin-4-ylmethanone.
What is the SMILES notation for [2-hydroxy-5-(trifluoromethyl)phenyl]-pyridin-4-ylmethanone?
The canonical SMILES for [2-hydroxy-5-(trifluoromethyl)phenyl]-pyridin-4-ylmethanone is O=C(c1ccncc1)c1cc(C(F)(F)F)ccc1O.
What is the InChIKey of [2-hydroxy-5-(trifluoromethyl)phenyl]-pyridin-4-ylmethanone?
The InChIKey is FLAZVOOGJSFOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3NO2/c14-13(15,16)9-1-2-11(18)10(7-9)12(19)8-3-5-17-6-4-8/h1-7,18H.
What are the key properties of [2-hydroxy-5-(trifluoromethyl)phenyl]-pyridin-4-ylmethanone?
[2-hydroxy-5-(trifluoromethyl)phenyl]-pyridin-4-ylmethanone has a molecular weight of 267.21 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-5-(trifluoromethyl)phenyl]-pyridin-4-ylmethanone is sourced from PubChem (CID 134627441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).